2-azanyl-4-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyloxy)butanoic acid

Systemtic Name: 2-azanyl-4-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyloxy)butanoic acid Openeye Name: 2-amino-4-oxo-4-[2-(4-pyridyl)ethylcarbamoyloxy]butanoic acid CAS Name: 2-amino-4-oxo-4-[oxo-(2-pyridin-4-ylethylamino)methoxy]butanoic acid IUPAC Name: 2-amino-4-oxo-4-(2-pyridin-4-ylethylcarbamoyloxy)butanoic acid Traditional Name: 2-amino-4-keto-4-[2-(4-pyridyl)ethylcarbamoyloxy]butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCNC(=O)OC(=O)CC(C(=O)O)N

Isomeric SMILES

C1=CN=CC=C1CCNC(=O)OC(=O)CC(C(=O)O)N

InChI

InChI=1S/C12H15N3O5/c13-9(11(17)18)7-10(16)20-12(19)15-6-3-8-1-4-14-5-2-8/h1-2,4-5,9H,3,6-7,13H2,(H,15,19)(H,17,18)